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Original Articles

Comparison of Monte Carlo simulations and macroscopic theories of diffusion in systems with non-ideal sources and sinks for vacancies

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Pages 2363-2389 | Received 03 Dec 2004, Accepted 01 Feb 2005, Published online: 21 Feb 2007
 

Abstract

A new concept of generation and annihilation of vacancies at non-ideal dense sources and sinks for vacancies is incorporated into the standard Monte Carlo model for vacancy-mediated diffusion. This model enables to treat the vacancy wind as well as the deformation of the specimen and the shift of the Kirkendall plane. The Monte Carlo model is used for testing the recent macroscopic theories of diffusion by Darken [Trans. Am. Inst. Min. Eng. 175 184 (1948)], Manning [Phys. Rev. B 4 1111 (1971)] and Moleko et al. [Phil. Mag. A 59 141 (1989)]. The agreement with the self-consistent Moleko et al. theory is excellent. On the other hand, the agreement with the classical Darken theory frequently used in the open literature for the explanation of the Kirkendall effect is rather poor.

Acknowledgments

The authors are indebted to the Materials Center Leoben for financial support within the framework of the strategic project SP16. The work on the project is also supported by Grant Agency AS CR (project No. K-1010104) and by Kontakt — Austrian-Czech Scientific Cooperation (project No. A-15/03), and is embedded in the Research Plan of AS CR (No. Z-204 1904).

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